subroutine gamma_hexene_init()
use molecule
implicit none
   !-------------------------------------------------------------------------
   natom    = 18
   neighmax = 4
   molname  = "gamma_hexene"
   !
   if ( allocated(neigh   )) deallocate( neigh   )
   if ( allocated(element )) deallocate( element )
   if ( allocated(molpos  )) deallocate( molpos  )
   allocate( element(natom), neigh(neighmax, natom), molpos(3,natom) )
   !
   element( 1) = "Ct"
   element( 2) = "Ht"
   element( 3) = "Ht"
   element( 4) = "Ht"
   element( 5) = "CT"
   element( 6) = "HT"
   element( 7) = "HT"
   element( 8) = "CM"
   element( 9) = "HC"
   element(10) = "CM"
   element(11) = "HC"
   element(12) = "CT"
   element(13) = "HT"
   element(14) = "HT"
   element(15) = "Ct"
   element(16) = "Ht"
   element(17) = "Ht"
   element(18) = "Ht"
   !
   neigh(:, 1) = (/ 2, 3, 4, 5 /)
   neigh(:, 2) = (/ 1, 0, 0, 0 /)
   neigh(:, 3) = (/ 1, 0, 0, 0 /)
   neigh(:, 4) = (/ 1, 0, 0, 0 /)
   neigh(:, 5) = (/ 1, 6, 7, 8 /)
   neigh(:, 6) = (/ 5, 0, 0, 0 /)
   neigh(:, 7) = (/ 5, 0, 0, 0 /)
   neigh(:, 8) = (/ 5, 9,10, 0 /)
   neigh(:, 9) = (/ 8, 0, 0, 0 /)
   neigh(:,10) = (/ 8,11,12, 0 /)
   neigh(:,11) = (/10, 0, 0, 0 /)
   neigh(:,12) = (/10,13,14,15 /)
   neigh(:,13) = (/12, 0, 0, 0 /)
   neigh(:,14) = (/12, 0, 0, 0 /)
   neigh(:,15) = (/12,16,17,18 /)
   neigh(:,16) = (/15, 0, 0, 0 /)
   neigh(:,17) = (/15, 0, 0, 0 /)
   neigh(:,18) = (/15, 0, 0, 0 /)
   !
   molpos(:, 1) = (/ -7.8452D0, 1.4503D0, -0.0002D0 /)
   molpos(:, 2) = (/ -8.7279D0, 2.0897D0, -0.0006D0 /)
   molpos(:, 3) = (/ -7.8533D0, 0.8212D0,  0.8899D0 /)
   molpos(:, 4) = (/ -7.8531D0, 0.8205D0, -0.8898D0 /)
   molpos(:, 5) = (/ -6.5778D0, 2.3240D0, -0.0003D0 /)
   molpos(:, 6) = (/ -6.5700D0, 2.9527D0, -0.8907D0 /)
   molpos(:, 7) = (/ -6.5703D0, 2.9534D0,  0.8896D0 /)
   molpos(:, 8) = (/ -5.3635D0, 1.4428D0,  0.0002D0 /)
   molpos(:, 9) = (/ -5.4765D0, 0.3587D0,  0.0006D0 /)
   molpos(:,10) = (/ -4.1484D0, 1.9856D0,  0.0001D0 /)
   molpos(:,11) = (/ -4.0354D0, 3.0697D0, -0.0003D0 /)
   molpos(:,12) = (/ -2.9341D0, 1.1043D0,  0.0007D0 /)
   molpos(:,13) = (/ -2.9418D0, 0.4757D0,  0.8911D0 /)
   molpos(:,14) = (/ -2.9416D0, 0.4749D0, -0.8892D0 /)
   molpos(:,15) = (/ -1.6667D0, 1.9781D0,  0.0005D0 /)
   molpos(:,16) = (/ -0.7840D0, 1.3387D0,  0.0009D0 /)
   molpos(:,17) = (/ -1.6588D0, 2.6079D0,  0.8901D0 /)
   molpos(:,18) = (/ -1.6586D0, 2.6072D0, -0.8896D0 /)
   !-------------------------------------------------------------------------
end subroutine
